(S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol

C14H11ClN2O — CID 99645909

IUPAC(S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C14H11ClN2O/c15-13-7-10-6-11(17-12(10)8-16-13)14(18)9-4-2-1-3-5-9/h1-8,14,17-18H/t14-/m0/s1
InChIKeyKLRIIOZTGWTKMJ-AWEZNQCLSA-N
MW258.71 g/mol
LogP3.30
Rot. Bonds2

About (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol

(S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol (PubChem CID 99645909) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol
PubChem CID99645909
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C14H11ClN2O/c15-13-7-10-6-11(17-12(10)8-16-13)14(18)9-4-2-1-3-5-9/h1-8,14,17-18H/t14-/m0/s1
InChIKeyKLRIIOZTGWTKMJ-AWEZNQCLSA-N
XLogP3.30
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753621
6-chloro-1H-1,7-naphthyridin-2-one
CID 15592373
1H-indol-2-yl-(3-methylphenyl)methanol
CID 102056377
2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821328
(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
CID 98619139
(2,4-dichloropyrimidin-5-yl)-phenylmethanol
CID 15053973
5-chloro-N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753679
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 11404727
(S)-[6-(cyclopropylamino)-3-pyridinyl]-phenylmethanol
CID 124503031
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
furan-3-yl(1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
CID 68982252
(S)-1H-pyrrolo[2,3-c]pyridin-2-yl(thiophen-3-yl)methanol
CID 99645756

Frequently Asked Questions

What is the IUPAC name of (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol?
The IUPAC name of (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol (CID 99645909) is (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol.
What is the SMILES notation for (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol?
The canonical SMILES for (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol is O[C@@H](c1ccccc1)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol?
The InChIKey is KLRIIOZTGWTKMJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-13-7-10-6-11(17-12(10)8-16-13)14(18)9-4-2-1-3-5-9/h1-8,14,17-18H/t14-/m0/s1.
What are the key properties of (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol?
(S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol has a molecular weight of 258.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-phenylmethanol is sourced from PubChem (CID 99645909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).