(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone

C91H62ClF6N11O6+2 — CID 157484022

IUPAC(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone
SMILESCn1nc(-c2cccc(F)c2)c2cc[n+](O)cc21.Cn1nc(-c2cccc(F)c2)c2ccnc(C#N)c21.O=C(c1ccc2ccccc2c1)c1cc(Cl)ncc1F.O=C(c1ccc2ccccc2c1)c1cc[n+](O)cc1F.O=C(c1ccc2ccccc2c1)c1ccncc1F.OC(c1ccc2ccccc2c1)c1ccncc1F
InChIInChI=1S/C16H9ClFNO.C16H11FNO2.C16H12FNO.C16H10FNO.C14H9FN4.C13H11FN3O/c17-15-8-13(14(18)9-19-15)16(20)12-6-5-10-3-1-2-4-11(10)7-12;17-15-10-18(20)8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;2*17-15-10-18-8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;1-19-14-11(5-6-17-12(14)8-16)13(18-19)9-3-2-4-10(15)7-9;1-16-12-8-17(18)6-5-11(12)13(15-16)9-3-2-4-10(14)7-9/h1-9H;1-10,20H;1-10,16,19H;1-10H;2-7H,1H3;2-8,18H,1H3/q;+1;;;;+1
InChIKeyRHNUAYZBWBYETL-UHFFFAOYSA-N
MW1555.01 g/mol
LogP18.60
Rot. Bonds10

About (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone

(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone (PubChem CID 157484022) has the molecular formula C91H62ClF6N11O6+2 and a molecular weight of 1555.01 g/mol. Its IUPAC name is (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone
PubChem CID157484022
Molecular FormulaC91H62ClF6N11O6+2
Molecular Weight1555.01 g/mol
Exact Mass1553.45
IUPAC Name(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone
SMILESCn1nc(-c2cccc(F)c2)c2cc[n+](O)cc21.Cn1nc(-c2cccc(F)c2)c2ccnc(C#N)c21.O=C(c1ccc2ccccc2c1)c1cc(Cl)ncc1F.O=C(c1ccc2ccccc2c1)c1cc[n+](O)cc1F.O=C(c1ccc2ccccc2c1)c1ccncc1F.OC(c1ccc2ccccc2c1)c1ccncc1F
InChIInChI=1S/C16H9ClFNO.C16H11FNO2.C16H12FNO.C16H10FNO.C14H9FN4.C13H11FN3O/c17-15-8-13(14(18)9-19-15)16(20)12-6-5-10-3-1-2-4-11(10)7-12;17-15-10-18(20)8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;2*17-15-10-18-8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;1-19-14-11(5-6-17-12(14)8-16)13(18-19)9-3-2-4-10(15)7-9;1-16-12-8-17(18)6-5-11(12)13(15-16)9-3-2-4-10(14)7-9/h1-9H;1-10,20H;1-10,16,19H;1-10H;2-7H,1H3;2-8,18H,1H3/q;+1;;;;+1
InChIKeyRHNUAYZBWBYETL-UHFFFAOYSA-N
XLogP18.60
TPSA230.65 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001555.01
LogP ≤ 518.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone with MolForge

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Related Compounds

1-Benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone
CID 157485622
(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 158298462
N-[(2,6-dichloro-3-fluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-amine;3-(1-phenylmethoxypyrrolo[3,2-b]pyridin-6-yl)aniline;1-[3-(1-phenylmethoxypyrrolo[3,2-b]pyridin-6-yl)phenyl]ethanone;[3-(1-phenylmethoxypyrrolo[3,2-b]pyridin-6-yl)phenyl]methanol;[4-(1-phenylmethoxypyrrolo[3,2-b]pyridin-6-yl)phenyl]methanol
CID 161044624

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone?
The IUPAC name of (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone (CID 157484022) is (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone is Cn1nc(-c2cccc(F)c2)c2cc[n+](O)cc21.Cn1nc(-c2cccc(F)c2)c2ccnc(C#N)c21.O=C(c1ccc2ccccc2c1)c1cc(Cl)ncc1F.O=C(c1ccc2ccccc2c1)c1cc[n+](O)cc1F.O=C(c1ccc2ccccc2c1)c1ccncc1F.OC(c1ccc2ccccc2c1)c1ccncc1F.
What is the InChIKey of (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone?
The InChIKey is RHNUAYZBWBYETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO.C16H11FNO2.C16H12FNO.C16H10FNO.C14H9FN4.C13H11FN3O/c17-15-8-13(14(18)9-19-15)16(20)12-6-5-10-3-1-2-4-11(10)7-12;17-15-10-18(20)8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;2*17-15-10-18-8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;1-19-14-11(5-6-17-12(14)8-16)13(18-19)9-3-2-4-10(15)7-9;1-16-12-8-17(18)6-5-11(12)13(15-16)9-3-2-4-10(14)7-9/h1-9H;1-10,20H;1-10,16,19H;1-10H;2-7H,1H3;2-8,18H,1H3/q;+1;;;;+1.
What are the key properties of (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone?
(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone has a molecular weight of 1555.01 g/mol, XLogP of 18.60, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 157484022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).