(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone

C36H32Cl2N4O6 — CID 68923416

IUPAC(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(Cl)cnc2-n2cccc2)c1OC.COc1cccc(C(O)c2cc(Cl)cnc2-n2cccc2)c1OC
InChIInChI=1S/C18H17ClN2O3.C18H15ClN2O3/c2*1-23-15-7-5-6-13(17(15)24-2)16(22)14-10-12(19)11-20-18(14)21-8-3-4-9-21/h3-11,16,22H,1-2H3;3-11H,1-2H3
InChIKeySFNBNFSJTMXRGN-UHFFFAOYSA-N
MW687.58 g/mol
LogP7.40
Rot. Bonds10

About (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone

(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone (PubChem CID 68923416) has the molecular formula C36H32Cl2N4O6 and a molecular weight of 687.58 g/mol. Its IUPAC name is (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone
PubChem CID68923416
Molecular FormulaC36H32Cl2N4O6
Molecular Weight687.58 g/mol
Exact Mass686.17
IUPAC Name(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(Cl)cnc2-n2cccc2)c1OC.COc1cccc(C(O)c2cc(Cl)cnc2-n2cccc2)c1OC
InChIInChI=1S/C18H17ClN2O3.C18H15ClN2O3/c2*1-23-15-7-5-6-13(17(15)24-2)16(22)14-10-12(19)11-20-18(14)21-8-3-4-9-21/h3-11,16,22H,1-2H3;3-11H,1-2H3
InChIKeySFNBNFSJTMXRGN-UHFFFAOYSA-N
XLogP7.40
TPSA109.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.58
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone with MolForge

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Related Compounds

(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
CID 11728565
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
CID 71306308
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2870378
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2373981
N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
CID 57177618
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone?
The IUPAC name of (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone (CID 68923416) is (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone is COc1cccc(C(=O)c2cc(Cl)cnc2-n2cccc2)c1OC.COc1cccc(C(O)c2cc(Cl)cnc2-n2cccc2)c1OC.
What is the InChIKey of (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone?
The InChIKey is SFNBNFSJTMXRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3.C18H15ClN2O3/c2*1-23-15-7-5-6-13(17(15)24-2)16(22)14-10-12(19)11-20-18(14)21-8-3-4-9-21/h3-11,16,22H,1-2H3;3-11H,1-2H3.
What are the key properties of (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone?
(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone has a molecular weight of 687.58 g/mol, XLogP of 7.40, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanol;(5-chloro-2-pyrrol-1-yl-3-pyridinyl)-(2,3-dimethoxyphenyl)methanone is sourced from PubChem (CID 68923416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).