(6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol

C16H17ClN4O2 — CID 160967962

IUPAC(6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol
SMILESCn1cc(-c2ccc(CO)cn2)cn1.OCc1ccc(Cl)nc1
InChIInChI=1S/C10H11N3O.C6H6ClNO/c1-13-6-9(5-12-13)10-3-2-8(7-14)4-11-10;7-6-2-1-5(4-9)3-8-6/h2-6,14H,7H2,1H3;1-3,9H,4H2
InChIKeySXWJHTCENJKLDA-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.20
Rot. Bonds3

About (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol

(6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol (PubChem CID 160967962) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol
PubChem CID160967962
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name(6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol
SMILESCn1cc(-c2ccc(CO)cn2)cn1.OCc1ccc(Cl)nc1
InChIInChI=1S/C10H11N3O.C6H6ClNO/c1-13-6-9(5-12-13)10-3-2-8(7-14)4-11-10;7-6-2-1-5(4-9)3-8-6/h2-6,14H,7H2,1H3;1-3,9H,4H2
InChIKeySXWJHTCENJKLDA-UHFFFAOYSA-N
XLogP2.20
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-6-yl}-methanol
CID 44372296
{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-4-yl}-methanol
CID 44372312
{4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-3-yl}-methanol
CID 11078813
(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
[3-[(4-Phenylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridin-6-yl]methanol
CID 44270494
3-[({1-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}oxy)methyl]pyridine
CID 77088039
[3-(4-Fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-pyrazolo[1,5-a]pyridin-6-yl]-methanol
CID 10359469
[5-(4-Chlorophenyl)-3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-pyridin-3-ylmethanol
CID 25189141
[3-(4-Chlorophenyl)-5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-pyridin-3-ylmethanol
CID 25189411
[2-[4-(4-Chlorophenyl)-5-methyl-3-pyridin-4-ylpyrazol-1-yl]-3-fluorophenyl]methanol
CID 49784826
[2-(2-Chloro-4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
CID 54454730
[2-(3-Chloro-4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
CID 67920772

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol?
The IUPAC name of (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol (CID 160967962) is (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol.
What is the SMILES notation for (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol?
The canonical SMILES for (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol is Cn1cc(-c2ccc(CO)cn2)cn1.OCc1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol?
The InChIKey is SXWJHTCENJKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C6H6ClNO/c1-13-6-9(5-12-13)10-3-2-8(7-14)4-11-10;7-6-2-1-5(4-9)3-8-6/h2-6,14H,7H2,1H3;1-3,9H,4H2.
What are the key properties of (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol?
(6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol has a molecular weight of 332.79 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methanol;[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 160967962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).