[6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid

C10H13ClN2O3 — CID 155011520

IUPAC[6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid
SMILESC[C@@H](O)CCc1cc(Cl)ncc1NC(=O)O
InChIInChI=1S/C10H13ClN2O3/c1-6(14)2-3-7-4-9(11)12-5-8(7)13-10(15)16/h4-6,13-14H,2-3H2,1H3,(H,15,16)/t6-/m1/s1
InChIKeyRAZFVTWLHUDKGF-ZCFIWIBFSA-N
MW244.68 g/mol
LogP2.14
Rot. Bonds4

About [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid

[6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid (PubChem CID 155011520) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid
PubChem CID155011520
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name[6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid
SMILESC[C@@H](O)CCc1cc(Cl)ncc1NC(=O)O
InChIInChI=1S/C10H13ClN2O3/c1-6(14)2-3-7-4-9(11)12-5-8(7)13-10(15)16/h4-6,13-14H,2-3H2,1H3,(H,15,16)/t6-/m1/s1
InChIKeyRAZFVTWLHUDKGF-ZCFIWIBFSA-N
XLogP2.14
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid
CID 118063662
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
tert-butyl N-[6-chloro-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 131744150
[6-chloro-4-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]carbamic acid
CID 141326546
N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide
CID 114256408
N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 130497741
(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide
CID 118608605
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
[6-chloro-4-(2-methyloxolan-2-yl)-3-pyridinyl]carbamic acid
CID 118064164
N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide
CID 154608807
N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114256390
N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide
CID 113262953

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid?
The IUPAC name of [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid (CID 155011520) is [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid is C[C@@H](O)CCc1cc(Cl)ncc1NC(=O)O.
What is the InChIKey of [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid?
The InChIKey is RAZFVTWLHUDKGF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-6(14)2-3-7-4-9(11)12-5-8(7)13-10(15)16/h4-6,13-14H,2-3H2,1H3,(H,15,16)/t6-/m1/s1.
What are the key properties of [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid?
[6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid has a molecular weight of 244.68 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(3R)-3-hydroxybutyl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 155011520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).