[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid

C10H11ClN2O3 — CID 118063662

IUPAC[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cnc(Cl)cc1C(O)C1CC1
InChIInChI=1S/C10H11ClN2O3/c11-8-3-6(9(14)5-1-2-5)7(4-12-8)13-10(15)16/h3-5,9,13-14H,1-2H2,(H,15,16)
InChIKeyCPWKLATXDMGRIT-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.27
Rot. Bonds3

About [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid

[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid (PubChem CID 118063662) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid
PubChem CID118063662
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cnc(Cl)cc1C(O)C1CC1
InChIInChI=1S/C10H11ClN2O3/c11-8-3-6(9(14)5-1-2-5)7(4-12-8)13-10(15)16/h3-5,9,13-14H,1-2H2,(H,15,16)
InChIKeyCPWKLATXDMGRIT-UHFFFAOYSA-N
XLogP2.27
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.27
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

(5-Amino-2-chloropyridin-4-yl)methanol
CID 53401473
2-(5-(t-Butoxycarbonylamino)-2-chloropyrid-4-yl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol
CID 18386564
[4-[(2-Chloro-4-pyridinyl)-hydroxymethyl]-3-fluorophenyl]carbamic acid
CID 87361894
[2-Chloro-4-(2,2,2-trifluoro-1,1-dihydroxyethyl)-3-pyridinyl]carbamic acid
CID 155340751
tert-butyl N-[2-chloro-4-(2,2,2-trifluoro-1,1-dihydroxyethyl)-3-pyridinyl]carbamate
CID 155729107
2,2-dimethylhexan-3-yl N-[2-chloro-4-(2,2,2-trifluoro-1,1-dihydroxyethyl)-3-pyridinyl]carbamate
CID 170651173
[3-[(3-Chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol
CID 86781539
[3-[(5-Chloro-2-fluorophenyl)methylamino]-4-pyridinyl]methanol
CID 109896997
[3-[(3-Chloro-2-fluorophenyl)methylamino]-4-pyridinyl]methanol
CID 109897046
2-(2-chloro-6-fluorophenyl)-N-[4-(hydroxymethyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 109990519
[3-[(2-Chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol
CID 112374431
[3-[(4-Chloro-3-fluorophenyl)methylamino]-4-pyridinyl]methanol
CID 112374442

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid?
The IUPAC name of [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid (CID 118063662) is [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid is O=C(O)Nc1cnc(Cl)cc1C(O)C1CC1.
What is the InChIKey of [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid?
The InChIKey is CPWKLATXDMGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-3-6(9(14)5-1-2-5)7(4-12-8)13-10(15)16/h3-5,9,13-14H,1-2H2,(H,15,16).
What are the key properties of [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid?
[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid has a molecular weight of 242.66 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 118063662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).