[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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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).